SCHEMBL16953753

SCHEMBL16953753

[CH2]C(C)c1cc(Cl)ccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.41
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
RORC P51449 1/20 0.37
SLC9A1 P19634 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ADORA3 P0DMS8 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34
MDM2 Q00987 1/20 0.33
MAP2 P11137 1/20 0.33
MEN1 O00255 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16951864 0.86 KMT2A (0.37) TSHRHTR2AHTR2CHTR2BHTT
SCHEMBL11890403 0.85 CSNK2A1 (0.43) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL16959273 0.84 CSNK2A1 (0.38) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL16951333 0.83 LPAR1 (0.41) HTTLMNAMEN1MAPTKMT2A
SCHEMBL16962915 0.82 CSNK2A1 (0.40) CSNK2A1TSHRHTR2AHTR2CHTR2B
SCHEMBL16951644 0.80 GAA (0.50) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL16950714 0.79 ACHE (0.38) CSNK2A1TSHRHTR2AHTR2BRORC
SCHEMBL16960402 0.78 ALDH1A1 (0.40) CSNK2A1TSHRHTTLMNAMAPK1
SCHEMBL16959139 0.78 KCNH2 (0.38) CSNK2A1HTR2AMEN1MAPTKMT2A
SCHEMBL16957725 0.77 CNR2 (0.35) TSHRHTR2AHTR2CHTR2BHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed